3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide

C10H19F3N4O — CID 55212865

IUPAC3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-8(6-9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18)
InChIKeyOFPXUSBWPOTFSD-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.07
Rot. Bonds4

About 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide

3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide (PubChem CID 55212865) has the molecular formula C10H19F3N4O and a molecular weight of 268.28 g/mol. Its IUPAC name is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide.

Molecular Properties

Compound Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
PubChem CID55212865
Molecular FormulaC10H19F3N4O
Molecular Weight268.28 g/mol
Exact Mass268.15
IUPAC Name3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide
SMILESCC(CC(=O)NN)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H19F3N4O/c1-8(6-9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18)
InChIKeyOFPXUSBWPOTFSD-UHFFFAOYSA-N
XLogP-0.07
TPSA61.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The IUPAC name of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide (CID 55212865) is 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide.
What is the SMILES notation for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The canonical SMILES for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide is CC(CC(=O)NN)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
The InChIKey is OFPXUSBWPOTFSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N4O/c1-8(6-9(18)15-14)17-4-2-16(3-5-17)7-10(11,12)13/h8H,2-7,14H2,1H3,(H,15,18).
What are the key properties of 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide?
3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide has a molecular weight of 268.28 g/mol, XLogP of -0.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]butanehydrazide is sourced from PubChem (CID 55212865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).